我阅读了文档，并试图了解如何使用scipy.moptimize.mimize((，但我的代码就是不起作用，它一直显示"ValueError：用户提供的目标函数必须返回标量值">
这是我的代码：
PH = np.linspace(0, 14, 71)
ni_total = 0.1
citrate_total = 0.9
ammonia_total = 0.3
def concs(citrate_total,ni_total, ammonia_total, PH):
h = 10 ** (-PH)
def equations(p):
cit3, nio2, nh4 = p
Hcit = h*cit3*k4
H2cit = h*Hcit*k3
H3cit = h*H2cit*k2
ni2pfree = (nio2*k1*(h**2))/(1+((nio2*k1*(h**2))/ni_total))
NiH2cit = k7*ni2pfree*H2cit
NiHcit = k6*ni2pfree*Hcit
Nicit = k5*ni2pfree*cit3
nh3 = k8*nh4/h
nin4p2 = k9*(nh4**4)/(h**2)
nin6p2 = k10*(nh4**6) /(h**4)
return (citrate_total - Hcit - H2cit - H3cit - Nicit - NiHcit - NiH2cit - cit3,
ni_total - Nicit - NiHcit - NiH2cit - ni2pfree - nin4p2- nin6p2- nio2,
ammonia_total-nh3-4*nin4p2-6*nin6p2-nh4)
initial_guess=[0.1,0.1,0.1]
res = minimize(equations,initial_guess)
cit3 = res.x[0]
nio2 = res.x[1]
nh4 = res.x[2]
ni2pfree = (nio2 * k1 * (h ** 2)) / (1 + ((nio2 * k1 * (h ** 2)) / ni_total))
Hcit = h * cit3 *k4
H2cit = h * Hcit * k3
H3cit = h * H2cit * k2
NiH2cit = k7 * ni2pfree * H2cit
NiHcit = k6 * ni2pfree * Hcit
Nicit = k5 * ni2pfree * cit3
nh3 = k8 * nh4 / h
nin4p2 = k9 * (nh4 ** 4) / (h ** 2)
nin6p2 = k10 * (nh4 ** 6) / (h ** 4)
return [cit3, nio2, nh4, ni2pfree, Hcit, H2cit, H3cit, NiH2cit, NiHcit, Nicit,nh3,nin4p2,nin6p2]
函数scipy.optimize.minimize((将目标fun和初始值x0作为参数。fun必须返回单个实数(也称为标量(；而不是列表或元组。
相反，您的函数返回
def equations(p):
# code
return (..., ..., ...)
将其更改为
def equations(p):
# code
return x
其中函数值CCD_ 4为CCD_。